SCHEMBL13636336

SCHEMBL13636336

C=Cc1cc(B(O)O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40
TUBB4B P68371 4/20 0.40
TUBB3 Q13509 4/20 0.40
TUBB2A Q13885 4/20 0.40
TUBB8 Q3ZCM7 4/20 0.40
TUBA3E Q6PEY2 4/20 0.40
TUBA1A Q71U36 4/20 0.40
TUBA1C Q9BQE3 4/20 0.40
TUBB6 Q9BUF5 4/20 0.40
TUBB2B Q9BVA1 4/20 0.40
TUBB1 Q9H4B7 4/20 0.40
TRPA1 O75762 1/20 0.40
TTR P02766 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL426071 0.84 ALDH1A1 (0.52) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL3948200 0.81 HPGD (0.41) ENPP2TTRGABRA1GABRB2ALDH1A1
SCHEMBL23114 0.77 ENPP2 (0.52) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL31416596 0.74 BACE1 (0.38) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL28818319 0.74 ALDH1A1 (0.42) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL29427080 0.73 ENPP2 (0.48) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL23743 0.73 ENPP2 (0.48) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL3484229 0.73 ALDH1A1 (0.48) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL11040253 0.73 TTR (0.47) ENPP2CA1CA2TTRKDM4E
SCHEMBL1792533 0.73 CYP1A1 (0.61) CA1CA2ALDH1A1JUNNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 US disclosed
WO-2009064955-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 ENPP2 1064/4885CA1 1521/4885CA2 2734/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.